propyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoic acid propyl ester Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C17H18N2O4/c1-2-10-23-17(22)13-5-7-14(8-6-13)18-16(21)12-19-9-3-4-15(20)11-19/h3-9,11H,2,10,12H2,1H3,(H-,18,20,21,22)/p+1